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Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol, 5,17-bis(1,1-dimethylethyl)-11,23-diiodo-26,28-dimethoxy-
SpectraBase Compound ID 8PbPrRI2CnP
InChI InChI=1S/C38H42I2O4/c1-37(2,3)29-13-25-9-21-17-31(39)19-23(33(21)41)11-27-15-30(38(4,5)6)16-28(36(27)44-8)12-24-20-32(40)18-22(34(24)42)10-26(14-29)35(25)43-7/h13-20,41-42H,9-12H2,1-8H3
InChIKey WCQXCMIVGDXDNI-UHFFFAOYSA-N
Mol Weight 816.6 g/mol
Molecular Formula C38H42I2O4
Exact Mass 816.11725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIwLSXvrbyr
Name Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol, 5,17-bis(1,1-dimethylethyl)-11,23-diiodo-26,28-dimethoxy-
Alternate Name(s) 5,17-Bis(1,1-dimethylethyl)-11,23-diiodo-26,28-dimethoxy-pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol
CAS Registry Number 129492-32-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H42I2O4
InChI InChI=1S/C38H42I2O4/c1-37(2,3)29-13-25-9-21-17-31(39)19-23(33(21)41)11-27-15-30(38(4,5)6)16-28(36(27)44-8)12-24-20-32(40)18-22(34(24)42)10-26(14-29)35(25)43-7/h13-20,41-42H,9-12H2,1-8H3
InChIKey WCQXCMIVGDXDNI-UHFFFAOYSA-N
Molecular Weight 816.559 g/mol
SMILES Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1cc(c2)I)cc(c5)C(C)(C)C)OC)cc(c4)I)O)cc(c3)C(C)(C)C)OC
SPLASH splash10-0a4i-9003032000-83214dea4df5089590aa
Source of Spectrum J-55-5643-12
Wiley ID 1417385